2-ethyl-3,5-dinitro-benzenecarbothioic S-acid

Systemtic Name: 2-ethyl-3,5-dinitro-benzenecarbothioic S-acid Openeye Name: 2-ethyl-3,5-dinitro-benzenecarbothioic S-acid CAS Name: 2-ethyl-3,5-dinitrobenzenecarbothioic S-acid IUPAC Name: 2-ethyl-3,5-dinitrobenzenecarbothioic S-acid Traditional Name: 2-ethyl-3,5-dinitro-thiobenzoic acid Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1C(=O)S)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1C(=O)S)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O5S/c1-2-6-7(9(12)17)3-5(10(13)14)4-8(6)11(15)16/h3-4H,2H2,1H3,(H,12,17)